tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate

C14H21N3O3 — CID 19377708

IUPACtert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ncc[nH]2)CC1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-4-10(5-9-17)11(18)12-15-6-7-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyGWCJQEAVCBYXIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate (PubChem CID 19377708) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate
PubChem CID19377708
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ncc[nH]2)CC1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-4-10(5-9-17)11(18)12-15-6-7-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyGWCJQEAVCBYXIN-UHFFFAOYSA-N
XLogP2.24
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate (CID 19377708) is tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2ncc[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate?
The InChIKey is GWCJQEAVCBYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-4-10(5-9-17)11(18)12-15-6-7-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 19377708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).